2-[(4-carboxy-3-methoxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid

Systemtic Name: 2-[(4-carboxy-3-methoxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Openeye Name: 2-[(4-carboxy-3-methoxy-phenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid CAS Name: 2-[(4-carboxy-3-methoxyphenyl)methoxy]-6-(2-mercaptoethyl)benzoic acid IUPAC Name: 2-[(4-carboxy-3-methoxyphenyl)methoxy]-6-(2-sulfanylethyl)benzoic acid Traditional Name: 2-(4-carboxy-3-methoxy-benzyl)oxy-6-(2-mercaptoethyl)benzoic acid Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)COC2=CC=CC(=C2C(=O)O)CCS)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)COC2=CC=CC(=C2C(=O)O)CCS)C(=O)O

InChI

InChI=1S/C18H18O6S/c1-23-15-9-11(5-6-13(15)17(19)20)10-24-14-4-2-3-12(7-8-25)16(14)18(21)22/h2-6,9,25H,7-8,10H2,1H3,(H,19,20)(H,21,22)